N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide

C15H19ClN2O2 — CID 47408126

IUPACN-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCCCC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(19)17-14-9-12(7-8-13(14)16)18-15(20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyZJYJXTWEDAAXBP-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.82
Rot. Bonds3

About N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide

N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide (PubChem CID 47408126) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
PubChem CID47408126
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCCCC2)ccc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(19)17-14-9-12(7-8-13(14)16)18-15(20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyZJYJXTWEDAAXBP-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-chlorophenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015470
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N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
CID 166607238
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
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CID 119707641

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide (CID 47408126) is N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide is CC(=O)Nc1cc(NC(=O)C2CCCCC2)ccc1Cl.
What is the InChIKey of N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide?
The InChIKey is ZJYJXTWEDAAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(19)17-14-9-12(7-8-13(14)16)18-15(20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide?
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 47408126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).